Molecule ID: mol9026

SMILES: CC(=O)CCl

InChI: InChI=1S/C3H5ClO/c1-3(5)2-4/h2H2,1H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
13.57 QSARToolbox 0 » -1
13.57 Datawarrior 0 » -1
13.57 OCHEM 0 » -1
14.72 AttenGpKa training set 0 » -1
16.50 IUPAC digitized pKa 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization